3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide

C29H27FN10O — CID 162752804

About 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide

3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 162752804) has the molecular formula C29H27FN10O and a molecular weight of 550.60 g/mol. Its IUPAC name is 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

• Compound Name: 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide
• PubChem CID: 162752804
• Molecular Formula: C29H27FN10O
• Molecular Weight: 550.60 g/mol
• Exact Mass: 550.24
• IUPAC Name: 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide
• SMILES: Cn1cc(-c2cc(N3CC4CCC(C3)C4C(=O)NCc3ccc(-n4cc(F)cn4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C29H27FN10O/c1-37-13-23(11-34-37)21-6-25(28-22(7-31)10-35-40(28)16-21)38-14-19-3-4-20(15-38)27(19)29(41)33-9-18-2-5-26(32-8-18)39-17-24(30)12-36-39/h2,5-6,8,10-13,16-17,19-20,27H,3-4,9,14-15H2,1H3,(H,33,41)
• InChIKey: AUENEZSWCDWEDG-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 121.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.60
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide?

The IUPAC name of 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide (CID 162752804) is 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide.

What is the SMILES notation for 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide?

The canonical SMILES for 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide is Cn1cc(-c2cc(N3CC4CCC(C3)C4C(=O)NCc3ccc(-n4cc(F)cn4)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide?

The InChIKey is AUENEZSWCDWEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN10O/c1-37-13-23(11-34-37)21-6-25(28-22(7-31)10-35-40(28)16-21)38-14-19-3-4-20(15-38)27(19)29(41)33-9-18-2-5-26(32-8-18)39-17-24(30)12-36-39/h2,5-6,8,10-13,16-17,19-20,27H,3-4,9,14-15H2,1H3,(H,33,41).

What are the key properties of 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide?

3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 550.60 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 162752804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).